data_2200734
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  o956
_journal_page_last  o958
_publ_section_title
;
(Z)-2-Nitroethenamine
;
loop_
_publ_author_name
  'Evans, Robin N.'
  'Gilardi, Richard'
_chemical_name_common  '(Z)-2-nitroethenamine'
_chemical_formula_moiety  'C2 H4 N2 O2'
_chemical_formula_sum  'C2 H4 N2 O2'
_chemical_formula_iupac  'C2 H4 N2 O2'
_chemical_formula_weight  88.07
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  5.5459(2)
_cell_length_b  10.3058(3)
_cell_length_c  6.8702(3)
_cell_angle_alpha  90.00
_cell_angle_beta  100.131(2)
_cell_angle_gamma  90.00
_cell_volume  386.54(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.513
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  N1  .8749(2)  .79870(13)  .40604(19)  .0630(5) Uani d . 1 . . N
  H1A 1.011(4)  .8389(14)  .466(3)  .076 Uiso d . 1 . . H
  H1B  .754(3)  .850(2)  .354(3)  .076 Uiso d . 1 . . H
  C1  .8617(2)  .67328(15)  .4003(2)  .0613(5) Uani d . 1 . . C
  H1  .998(3)  .6280(15)  .461(2)  .074 Uiso d . 1 . . H
  C2  .6720(2)  .59581(14)  .3149(2)  .0609(5) Uani d . 1 . . C
  H2  .688(3)  .509(2)  .317(2)  .073 Uiso d . 1 . . H
  N2  .45367(18)  .64422(12)  .21808(15)  .0569(5) Uani d . 1 . . N
  O2A  .28745(17)  .56588(11)  .14658(18)  .0782(5) Uani d . 1 . . O
  O2B  .41900(18)  .76326(10)  .20014(16)  .0665(5) Uani d . 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  N1  .0529(8)  .0575(9)  .0717(9)  -.0015(5)  -.0081(6)  -.0036(5)
  C1  .0517(8)  .0577(9)  .0678(9)  .0071(6)  -.0076(6)  .0008(6)
  C2  .0555(8)  .0462(8)  .0741(10)  .0070(6)  -.0077(6)  .0025(6)
  N2  .0502(7)  .0500(8)  .0659(8)  -.0007(5)  -.0029(5)  -.0004(4)
  O2A  .0570(7)  .0570(8)  .1083(10)  -.0059(4)  -.0192(6)  -.0020(5)
  O2B  .0565(7)  .0469(8)  .0881(9)  .0058(4)  -.0093(5)  .0031(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  N1 C1 . 1.295(2) ?
  C1 C2 . 1.368(2) ?
  C2 N2 . 1.3688(16) ?
  N2 O2B . 1.2445(15) ?
  N2 O2A . 1.2584(14) ?
  N1 H1A .  .90(2) ?
  N1 H1B .  .88(2) ?
  C1 H1 .  .925(18) ?
  C2 H2 .  .90(2) ?